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CHEBI:70876 - N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine

ChEBI IDCHEBI:70876
ChEBI NameN-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
Stars
ASCII NameN-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine
DefinitionAn N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine in which the acyl group has 17 carbons and 0 double bonds.
Last Modified21 November 2012
SubmitterAlan Bridge
DownloadsMolfile
FormulaC39H79N2O6P
Net Charge0
Average Mass703.043
Monoisotopic Mass702.56757
SMILESCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C
InChIInChI=1S/C39H79N2O6P/c1-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-39(43)40-37(35-47-48(44,45)46-34-33-41(4,5)6)38(42)31-28-25-22-19-17-18-21-24-27-30-36(2)3/h28,31,36-38,42H,7-27,29-30,32-35H2,1-6H3,(H-,40,43,44,45)/b31-28+/t37-,38+/m0/s1
InChIKeyLFOVKKHRPZRMKL-BZWWISLQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70876) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-heptadecanoyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70876) is a N-acyl-15-methylhexadecasphing-4-enine-1-phosphocholine (CHEBI:70775)